#!/bin/bash
  #PBS -P projectid
  #PBS -l select=3:ncpus=24:mpiprocs=24:mem=12GB:nodetype=haswell_reg
  #PBS -q normal
  #PBS -l walltime=01:00:00
  #PBS -o /mnt/lustre3p/users/username/liggghtsJobs/job01/stdout
  #PBS -e /mnt/lustre3p/users/username/liggghtsJobs/job01/stderr
  #PBS -m abe
  #PBS -M username@email.co.za
  ### load the LIGGGHTS module
  module add chpc/compmech/LIGGGHTS/3.8_gcc830
  ##### Running commands
  # The -d option used with moab no longer works.  Set this environment variable explicitly.
  export PBS_JOBDIR=/mnt/lustre3p/users/username/liggghtsJobs/job01
  # Explicitly change to the job directory
  cd $PBS_JOBDIR
  nproc=`cat $PBS_NODEFILE | wc -l`
  mpirun -np $nproc liggghts < in.lj > ligghtsrun.out